Iron in PDB 3s9l: Complex Between Transferrin Receptor 1 and Transferrin with Iron in the N-Lobe, Cryocooled 2

The structure of Complex Between Transferrin Receptor 1 and Transferrin with Iron in the N-Lobe, Cryocooled 2, PDB code: 3s9l was solved by B.E.Eckenroth, A.N.Steere, A.B.Mason, S.J.Everse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.22
Space group	P 43 2 2
Cell size a, b, c (Å), α, β, γ (°)	231.676, 231.676, 168.955, 90.00, 90.00, 90.00
R / Rfree (%)	27.1 / 31.4

The structure of Complex Between Transferrin Receptor 1 and Transferrin with Iron in the N-Lobe, Cryocooled 2 also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Iron atom in the Complex Between Transferrin Receptor 1 and Transferrin with Iron in the N-Lobe, Cryocooled 2 (pdb code 3s9l). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Complex Between Transferrin Receptor 1 and Transferrin with Iron in the N-Lobe, Cryocooled 2, PDB code: 3s9l:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Complex Between Transferrin Receptor 1 and Transferrin with Iron in the N-Lobe, Cryocooled 2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Complex Between Transferrin Receptor 1 and Transferrin with Iron in the N-Lobe, Cryocooled 2 within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe901 b:98.1 occ:1.00 OH C:TYR95 1.9 0.5 1.0 OD1 C:ASP63 2.1 0.0 1.0 NE2 C:HIS249 2.1 0.4 1.0 OH C:TYR188 2.1 0.2 1.0 O2 C:CO3905 2.2 78.2 1.0 O1 C:CO3905 2.3 78.2 1.0 C C:CO3905 2.6 78.2 1.0 CZ C:TYR95 2.7 0.5 1.0 CE1 C:HIS249 3.0 0.4 1.0 CG C:ASP63 3.1 0.0 1.0 CE2 C:TYR95 3.1 0.5 1.0 CD2 C:HIS249 3.1 0.4 1.0 CZ C:TYR188 3.3 0.2 1.0 OD2 C:ASP63 3.7 0.0 1.0 CE1 C:TYR95 3.9 0.5 1.0 O3 C:CO3905 3.9 78.2 1.0 CE2 C:TYR188 4.1 0.2 1.0 CE1 C:TYR188 4.1 0.2 1.0 ND1 C:HIS249 4.1 0.4 1.0 CB C:ASP63 4.1 0.0 1.0 CG C:HIS249 4.2 0.4 1.0 CB C:SER125 4.3 94.2 1.0 CD2 C:TYR95 4.4 0.5 1.0 N C:ALA126 4.6 0.8 1.0 NH2 C:ARG124 4.7 77.7 0.7 N C:SER125 4.8 86.1 1.0 OG C:SER125 4.8 94.2 1.0 CA C:ASP63 4.9 1.0 1.0 CB C:ALA126 4.9 0.3 1.0 CD1 C:TYR95 5.0 0.5 1.0

Iron binding site 2 out of 2 in the Complex Between Transferrin Receptor 1 and Transferrin with Iron in the N-Lobe, Cryocooled 2


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Complex Between Transferrin Receptor 1 and Transferrin with Iron in the N-Lobe, Cryocooled 2 within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe901 b:0.5 occ:1.00 OH D:TYR188 2.0 0.7 1.0 OD1 D:ASP63 2.1 0.3 1.0 OH D:TYR95 2.1 0.0 1.0 O2 D:CO3905 2.3 0.9 1.0 O1 D:CO3905 2.4 0.9 1.0 C D:CO3905 2.7 0.9 1.0 NE2 D:HIS249 2.7 0.4 1.0 CG D:ASP63 2.8 0.3 1.0 OD2 D:ASP63 3.1 0.3 1.0 CZ D:TYR188 3.3 0.7 1.0 CZ D:TYR95 3.3 0.0 1.0 CE1 D:HIS249 3.4 0.4 1.0 CD2 D:HIS249 3.8 0.4 1.0 CE1 D:TYR188 3.8 0.7 1.0 CE2 D:TYR95 3.9 0.0 1.0 O3 D:CO3905 4.0 0.9 1.0 CB D:SER125 4.0 96.0 1.0 CB D:ASP63 4.1 0.3 1.0 N D:SER125 4.2 0.7 1.0 OG D:SER125 4.2 96.0 1.0 N D:ALA126 4.3 1.0 1.0 CE2 D:TYR188 4.3 0.7 1.0 CE1 D:TYR95 4.4 0.0 1.0 ND1 D:HIS249 4.6 0.4 1.0 CA D:SER125 4.6 0.7 1.0 CB D:ALA126 4.8 0.3 1.0 CG D:HIS249 4.8 0.4 1.0 C D:SER125 5.0 0.7 1.0 CA D:ASP63 5.0 0.3 1.0

B.E.Eckenroth, A.N.Steere, N.D.Chasteen, S.J.Everse, A.B.Mason. How the Binding of Human Transferrin Primes the Transferrin Receptor Potentiating Iron Release at Endosomal pH. Proc.Natl.Acad.Sci.Usa V. 108 13089 2011.
ISSN: ISSN 0027-8424
PubMed: 21788477
DOI: 10.1073/PNAS.1105786108